2-(3-ethenoxypropoxy)ethanesulfonyl fluoride

C7H13FO4S — CID 56625295

IUPAC2-(3-ethenoxypropoxy)ethanesulfonyl fluoride
SMILESC=COCCCOCCS(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-2-11-4-3-5-12-6-7-13(8,9)10/h2H,1,3-7H2
InChIKeyRWFHPUQXCNAIEJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.85
Rot. Bonds8

About 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride

2-(3-ethenoxypropoxy)ethanesulfonyl fluoride (PubChem CID 56625295) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(3-ethenoxypropoxy)ethanesulfonyl fluoride
PubChem CID56625295
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name2-(3-ethenoxypropoxy)ethanesulfonyl fluoride
SMILESC=COCCCOCCS(=O)(=O)F
InChIInChI=1S/C7H13FO4S/c1-2-11-4-3-5-12-6-7-13(8,9)10/h2H,1,3-7H2
InChIKeyRWFHPUQXCNAIEJ-UHFFFAOYSA-N
XLogP0.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethenoxyethanesulfonyl fluoride
CID 54313803
Fluoro 2-ethenoxyethanesulfonate
CID 87852213
3-Ethenoxy-1-ethoxypropane-1-sulfonyl fluoride
CID 123796506
2-(2-Ethoxyethenoxy)ethanesulfonyl fluoride
CID 140002257
Fluoro 2-(2-ethenoxyethoxy)ethanesulfonate
CID 140358390
2-(2-Fluorosulfonylethoxy)ethenyl hypofluorite
CID 140565056
4-Ethenoxybutane-1-sulfonyl fluoride
CID 151614121
3-Ethenoxypropane-1-sulfonyl fluoride
CID 154634401
3-Ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride
CID 172857985
2-(3-Methoxypropoxy)ethane-1-sulfonyl fluoride
CID 165682667
2-Ethenoxyethenyl propane-1-sulfonate
CID 57270398
Potassium 3-ethenoxypropane-1-sulfonate
CID 58689616

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride?
The IUPAC name of 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride (CID 56625295) is 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride?
The canonical SMILES for 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride is C=COCCCOCCS(=O)(=O)F.
What is the InChIKey of 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride?
The InChIKey is RWFHPUQXCNAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-2-11-4-3-5-12-6-7-13(8,9)10/h2H,1,3-7H2.
What are the key properties of 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride?
2-(3-ethenoxypropoxy)ethanesulfonyl fluoride has a molecular weight of 212.24 g/mol, XLogP of 0.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 56625295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).